SCHEMBL2129969

SCHEMBL2129969

CON(c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)nc1)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62
LIFR P42702 3/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2129438 0.93 NR1H4 (0.64) NR1H4LIFR
SCHEMBL2128873 0.91 NR1H4 (0.64) NR1H4LIFR
SCHEMBL2128611 0.88 NR1H4 (0.61) NR1H4LIFR
SCHEMBL2129752 0.84 NR1H4 (0.65) NR1H4LIFR
SCHEMBL2127348 0.83 NR1H4 (0.79) NR1H4LIFR
SCHEMBL2128452 0.82 NR1H4 (0.62) NR1H4LIFR
SCHEMBL4427551 0.82 NR1H4 (0.77) NR1H4LIFR
SCHEMBL2131102 0.81 NR1H4 (0.67) NR1H4LIFR
SCHEMBL4426892 0.81 NR1H4 (0.74) NR1H4LIFR
SCHEMBL2152268 0.81 NR1H4 (0.77) NR1H4LIFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 EP disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 WO disclosed
EP-1894924-A1 Heterocyclic FXR binding compounds Phenex Pharmaceuticals AG (DE) 2008-03-05 EP disclosed